SCHEMBL8601657

SCHEMBL8601657

CCCC1(Oc2ccc(CC3SC(=O)NC3=O)cc2)NC(=O)c2cc(C(=O)O)ccc2O1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.46
MPC2 O95563 2/20 0.41
CYP2C8 P10632 2/20 0.41
CYP2C9 P11712 2/20 0.41
FFAR1 O14842 8/20 0.41
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARA Q07869 2/20 0.40
RXRA P19793 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8602295 0.93 PPARG (0.47) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL8602379 0.81 PPARG (0.47) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL9531518 0.74 ALDH1A1 (0.52) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL8602291 0.74 PPARG (0.50) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL8601650 0.73 PPARG (0.49) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL210722 0.70 MAPT (0.67) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL9532695 0.70 CYP3A4 (0.54) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL210575 0.70 PPARG (0.68) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL8802229 0.68 HRH3 (0.48) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL8798265 0.68 HRH3 (0.52) PPARGMPC2CYP2C8CYP2C9FFAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710152-A ANTIDIABETIC, ANTILIPEMIC, AND HYPOGLYCEMIC AGENTS; DIETETICS SS PHARMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed